SCHEMBL252601

SCHEMBL252601

CCCCc1nc2c(F)cccc2cc1[C@H](C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
GCGR P47871 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PIK3CD O00329 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.32
SMAD3 P84022 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL252602 1.00 MAPT (0.35) MAPTGCGRTDP1ATMNR1H2
SCHEMBL252536 0.81 MAPT (0.38) MAPTTDP1ATMPIK3CDLMNA
SCHEMBL252535 0.81 MAPT (0.38) MAPTTDP1ATMPIK3CDLMNA
SCHEMBL15303199 0.75 PIK3CD (0.37) MAPTATMPIK3CDLMNAALDH1A1
SCHEMBL15302939 0.74 PIK3CD (0.54) MAPTATMNR1H2NR1H3PIK3CD
SCHEMBL252645 0.73 TDP1 (0.34) MAPTTDP1PIK3CDLMNASMN1; SMN2
SCHEMBL252646 0.73 TDP1 (0.34) MAPTTDP1PIK3CDLMNASMN1; SMN2
SCHEMBL4191638 0.72 PIK3CD (0.40) MAPTATMPIK3CDMEN1KMT2A
SCHEMBL21953526 0.71 NR1H2 (0.50) TDP1NR1H2NR1H3LMNAALDH1A1
SCHEMBL4173841 0.69 KMT2A (0.38) MAPTTDP1ATMPIK3CDLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588469-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 US disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 US disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 US disclosed
WO-2012003271-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003271-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 MAPT 2338/4885GCGR 3692/4885TDP1 2619/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.